For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5β-pregnane-3α,21-diol, diacetate
SpectraBase Compound ID 7Qp2Mie1aJG
InChI InChI=1S/C25H40O4/c1-16(26)28-14-11-18-6-8-22-21-7-5-19-15-20(29-17(2)27)9-12-25(19,4)23(21)10-13-24(18,22)3/h18-23H,5-15H2,1-4H3/t18-,19-,20-,21+,22+,23+,24-,25+/m1/s1
InChIKey KZDWVXISDXEHDL-KWHGMJGBSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 45D5sp1eFnv
Name 5β-pregnane-3α,21-diol, diacetate
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 16054-67-4
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-16(26)28-14-11-18-6-8-22-21-7-5-19-15-20(29-17(2)27)9-12-25(19,4)23(21)10-13-24(18,22)3/h18-23H,5-15H2,1-4H3/t18-,19-,20-,21+,22+,23+,24-,25+/m1/s1
InChIKey KZDWVXISDXEHDL-KWHGMJGBSA-N
Literature Reference J. ORG. CHEM. 33, 1707(1968) Abstract-Chemical Abstracts= 68, 114818(1968)
Melting Point 73-75C
Molecular Weight 404.591003
Synonyms 5B-PREGNANE-3A,21-DIOL, DIACETATE
Technique KBr WAFER